Ligand name: N-BENZYL-4-[4-(3-CHLOROPHENYL)-1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
PDB ligand accession: 33A
DrugBank: DB07010
PubChem: 135449325
ChEMBL: CHEMBL220320
InChI Key: PDJZASCRQRBYQS-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CNC(=O)c2cc(c[nH]2)c3c(c[nH]n3)c4cccc(c4)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2OK1	Download	Experimental	e2ok1A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot